{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8425893 0.26313 -0.7729594999999999 ] [ -0.2797066 -0.8931455 0.31679869999999993 ] [ 0.2733858 0.2183656 1.7870475999999997 ] [ -2.3441843 -2.1396066 2.4868999999999994 ] [ 0.9141113 2.5798207 -0.6188262999999999 ] [ -1.166105 0.8051865 -1.7623074999999997 ] [ -0.8342741 -0.7205726 -2.5656505999999997 ] [ -0.4058166 -0.1131781 1.1289975999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.156506739796238e-09 4.21580734231104e-10 -1.238417639725257e-09 ] [ -4.481393752034573e-10 -1.430976839072726e-09 5.075674706398328e-10 ] [ 4.380123372187047e-10 3.498602591069645e-10 2.86316588497675e-09 ] [ -3.755797280306413e-09 -3.428027672229377e-09 3.984453038267519e-09 ] [ 1.464567753669095e-09 4.13332841139589e-09 -9.91469030196167e-10 ] [ -1.868306168397984e-09 1.290050985683779e-09 -2.823527875160495e-09 ] [ -1.336654458358961e-09 -1.15448457330907e-09 -4.110625408461492e-09 ] [ -6.501898688525454e-10 -1.813313058065645e-10 1.808853559659309e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.624151 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.707618186804894e-18 } }